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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Development of an ab initio learned model of electron deposition range in deuterium-tritium plasmas through time-dependent density functional theory calculations and machine learning

Accurate hydrodynamic modeling for laser-direct-drive (LDD) inertial-confinement-fusion (ICF) relies on precise calculations of the electron thermal conduction in all target materials. The nonlocal stopping range of electrons in ICF plasmas directly influences thermal conduction; yet, no first principles model exists for the electron mean free path in the conduction-zone regime. This work utilized time-dependent stochastic density-functional theory (TD-sDFT) to calculate the electron stopping power in deuterium-tritium (DT) plasmas at (ρ, T) conditions relevant to the conduction zone and the compressed shell in ICF. Using a combination of our TD-sDFT data and already established analytical models, we developed and trained an artificial neural network to create a global model for the nonlocal electron deposition range, λ E . We compared our machine-learning (ML) based model for λ E to the currently-used modified-Lee-More model in LDD radiation-hydrodynamic codes, such as lilac, and saw an overall decrease in the deposition range. To understand the effects of λ E on LDD ICF implosion dynamics, we implemented the ML-based model into lilac; specifically, we looked at designs consistent with a current experiment on the OMEGA laser and for a newly designed LDD-ICF target for the future OMEGA-Next facility. In both cases, we saw an overall drop in predicted ablation pressure, peak areal density, and neutron yield due to the reduced thermal conduction (smaller λ E ) in DT plasmas. Comparisons with the experiment on OMEGA are also made.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Molecular-Atomic Transition along the Deuterium Hugoniot Curve with Coupled Electron-Ion Monte Carlo Simulations

We have performed accurate simulations of the Deuterium Hugoniot using Coupled Electron Ion Monte Carlo (CEIMC). Using highly accurate quantum Monte Carlo methods for the electrons, we study the region of maximum compression along the principal Hugoniot, where the system undergoes a continuous transition from a molecular fluid to a monatomic fluid. We include all relevant physical corrections so that a direct comparison to experiment can be made. Around 50 GPa we found a maximum compression of 4.85, roughly 10% larger than previous theoretical predictions and experimental data but still compatible with the latter because of their large uncertainty.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

Advanced Manufacturing for Thermal and Environmental Control Systems: Achieving National Energy Goals

This project was part of a regional initiative in the five counties of Central New York (CNY) that received funding from the U.S. Department of Energy (DOE) and four other federal agencies through the 2012 Advanced Manufacturing Jobs and Innovation Accelerator Challenge (AMJIAC). The CNY initiative was focused on cultivating the emergent regional cluster in “Advanced Manufacturing for Thermal and Environmental Control (AM-TEC).” As one component of the CNY AM-TEC initiative, the DOE-funded project supported five research & development seed projects that strategically targeted: 1) needs and opportunities of CNY AM-TEC companies, and 2) the goal of DOE’s Advanced Manufacturing Office (AMO) to reduce energy consumption by 50% across product life-cycles over 10 years. The project also sought to fulfill the AMO mission of developing and demonstrating new, energy-efficient processing and materials technologies at a scale adequate to prove their value to manufacturers and spur investment. The five seed projects demonstrated technologies and processes that can reduce energy intensity and improve production as well as use less energy throughout their lifecycles. The project was conducted over three years in two 18-month budget periods. During the first budget period, two projects proposed in the original AMJAIC application were successfully completed: Seed Project 1 focused on saving energy in heat transfer processes via development of nano structured surfaces to significantly increase heat flux; Seed Project 2 addressed saving energy in data centers via subzero cooling of the computing processors. Also during the first budget period, a process was developed and executed to select a second round of seed projects via a competitive request for proposals from regional companies and university collaborators. Applicants were encouraged to form industry-academic partnerships to leverage experience and resources of public and private sectors in the CNY region. Proposals were evaluated by a national panel of experts. Three projects were selected for awards and were completed successfully during the second budget period: Seed Project 3 focused on enabling self-powered furnaces to permit residents to shelter in place during power outages; Seed Project 4 addressed development of a novel method of controlling air conditioning systems that could enable flexible load matching in market segments not possible with existing technologies; and Seed Project 5 focused on the creation of smarter occupancy sensors to enable effective highly localized demand based ventilation.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Stratigraphically Controlled Stress Variations at the Hydraulic Fracture Test Site-1 in the Midland Basin, TX

We investigated the relationship between stratigraphy, stress, and microseismicity at the Hydraulic Fracture Test Site-1. The site comprises two sets of horizontal wells in the Wolfcamp shale and a deviated well drilled after hydraulic fracturing. Regional stresses indicate normal/strike-slip faulting with E-W compression. Stress measurements in vertical and horizontal wells show that the minimum principal stress varies with depth. Strata with high clay and organic content show high values of the least compressive stress, consistent with the theory of viscous stress relaxation. By integrating data from core, logs, and the hydraulic fracturing stages, we constructed a stress profile for the Wolfcamp sequence, which predicts how much pressure is required for hydraulic fracture growth. We applied the results to fracture orientation data from image logs to determine the population of pre-existing faults that are expected to slip during stimulation. We also determined microseismic focal plane mechanisms and found slip on steeply dipping planes striking NW, consistent with the orientations of potentially active faults predicted by the stress model. This case study represents a general approach for integrating stress measurements and rock properties to predict hydraulic fracture growth and the characteristics of injection-induced microseismicity.

microseismicity↗
DOE OSTI2016

MO-DE-207A-06: ECG-Gated CT Reconstruction for a C-Arm Inverse Geometry X-Ray System

Purpose: To obtain ECG-gated CT images from truncated projection data acquired with a C-arm based inverse geometry fluoroscopy system, for the purpose of cardiac chamber mapping in interventional procedures. Methods: Scanning-beam digital x-ray (SBDX) is an inverse geometry fluoroscopy system with a scanned multisource x-ray tube and a photon-counting detector mounted to a C-arm. In the proposed method, SBDX short-scan rotational acquisition is performed followed by inverse geometry CT (IGCT) reconstruction and segmentation of contrast-enhanced objects. The prior image constrained compressed sensing (PICCS) framework was adapted for IGCT reconstruction to mitigate artifacts arising from data truncation and angular undersampling due to cardiac gating. The performance of the reconstruction algorithm was evaluated in numerical simulations of truncated and non-truncated thorax phantoms containing a dynamic ellipsoid to represent a moving cardiac chamber. The eccentricity of the ellipsoid was varied at frequencies from 1–1.5 Hz. Projection data were retrospectively sorted into 13 cardiac phases. Each phase was reconstructed using IGCT-PICCS, with a nongated gridded FBP (gFBP) prior image. Surface accuracy was determined using Dice similarity coefficient and a histogram of the point distances between the segmented surface and ground truth surface. Results: The gated IGCT-PICCS algorithm improved surface accuracy and reduced streaking and truncation artifacts when compared to nongated gFBP. For the non-truncated thorax with 1.25 Hz motion, 99% of segmented surface points were within 0.3 mm of the 15 mm diameter ground truth ellipse, versus 1.0 mm for gFBP. For the truncated thorax phantom with a 40 mm diameter ellipse, IGCT-PICCS surface accuracy measured 0.3 mm versus 7.8 mm for gFBP. Dice similarity coefficient was 0.99–1.00 (IGCT-PICCS) versus 0.63–0.75 (gFBP) for intensity-based segmentation thresholds ranging from 25–75% maximum contrast. Conclusions: The PICCS algorithm was successfully applied to reconstruct truncated IGCT projection data with angular undersampling resulting from simulated cardiac gating. Research supported by the National Heart, Lung, and Blood Institute of the NIH under award number R01HL084022. The content is solely the responsibility of the authors and does not necessarily represent the official views of the NIH.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Utah FORGE: Triaxial Direct Shear Results - February 2025

This dataset contains results from nine triaxial direct shear tests conducted by Los Alamos National Laboratory on samples from FORGE Well 16A(78)-32. The primary objectives of this work were to determine the shear strength in both intact and residual states, evaluate dilation against displacement, assess permeability in relation to displacement, time, and normal stress, understand the relationship between aperture and normal stress, and monitor the effluent chemistry as a function of time. The data includes time-series measurements of stress, displacement, permeability, and effluent chemistry, with and without experimental dilution corrections. Additional materials include profilometry data, photographic documentation of the experimental setups and apparatus, and test notes. The dataset is organized into folders corresponding to each test, containing hydromechanical data, effluent chemistry measurements, and images. The hydromechanical data consists of detailed time-series records capturing parameters such as shear force, confining pressure, permeability, and temperature. Effluent chemistry data tracks fluid composition changes over time. Also included are conference papers, presentation slides, and a summary document outlining the experiments.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

The Impala's horn applied to posterior samples of Ti-6Al-4V strength model parameters

We have generated strength model parameters for the Preston-Tonks-Wallace (PTW) model of plastic deformation based on a collection of Ti-6Al-4V alloy data and a Bayesian framework. This data collected from the literature includes different chemistries and processes. The experiments include quasistatic compression, Split Hopkinson Pressure Bar (SHPB) compression, and Taylor cylinders. Here we use posterior parameter distributions applied to a hypothetical impact referred to as the Impala's horn. The Impala's horn is like a Taylor cylinder, but modified to have a conical pro le that is truncated before coming to a point. The smaller diameter at the impact end results in higher calculated strain rates and strains than the same velocity impact with the traditional Taylor profile. The modified geometry exercises the behavior of the strength model outside the range of conditions found in the calibration data. Here we sort posterior strength models based on their flow stress at characteristic values for this hypothetical deformation. Then we compare the performance of these posterior models based on two simple observable final state properties of the Impala's horn.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Determination of the Thermodynamic Properties of the Cyclohexane + n-Octane + n-Hexadecane Liquid Mixture by the Acoustic Method

The propagation of sound in the ternary cyclohexane + n-octane + n-hexadecane mixture at temperatures of 298–433 K and pressures of 0.1–100.1 MPa was investigated experimentally. The maximum error in measuring the velocity of sound in this mixture was 0.1%. Experimental data on the velocity of sound in such a mixture were obtained for the first time. On the basis of these data, the density, the isobaric expansion coefficient, the isobaric and isochoric heat capacities, and the isothermal compressibility of the indicated ternary mixture of three compositions at a temperature of 298–348 K and a pressure of 0.1–100 MPa and the deviation of the velocity of sound in it from the ideal one were determined. With the use of a number of semiempirical equations, the deviation of the velocity of sound in this mixture from the ideal one was estimated on the basis of the data on the velocity of sound in its pure components and in their binary compounds. A good agreement between the calculation and experimental data has been obtained. A table of the thermodynamic properties of the cyclohexane + n-octane + n-hexadecane mixture is presented.

42 ENGINEERING↗
DOE OSTI2025

Absolute Hugoniot measurements in low-density plastic foams on the NIKE shock compression platform

The propagation of Mbar-range shock waves in low-density foam materials is of interest to target design in all approaches to inertial confinement fusion, high energy density physics, and laboratory astrophysics. We report absolute Hugoniot measurements for CH 1.72 N 0.086 O 0.37 plastic foams with 73 and 94 mg/cm 3 densities in the 32–107 km/s shock velocity range. The experiments were performed on the shock compression platform developed on the NIKE KrF laser facility at the U.S. Naval Research Laboratory. NIKE's 4 or 8-ns long flat-top laser pulses drive steady shock waves into foam targets at the ablative pressures of 1–7 Mbar. The propagation of the ablation and shock fronts is tracked continuously in time using streaked side-on monochromatic x-ray imaging radiography. The straight x−t trajectories of the shock and ablation fronts in the recorded streak images confirmed their steadiness. The SESAME tabulated equation of state predictions generally agrees with our Hugoniot data within a 95% confidence band. The experimental uncertainty of the evaluated shock density compression ratios remains large, indicating the need for more experiments and improved theoretical understanding of the strong shock propagation mechanisms in dry foams.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Impact of ablator thickness and laser drive duration on a platform for supersonic, shockwave-driven hydrodynamic instability experiments

Here, we discuss changes to a target design that improved the quality and consistency of data obtained through a novel experimental platform that enables the study of hydrodynamic instabilities in a compressible regime. The experiment uses a laser to drive steady, supersonic shockwave over well-characterized initial perturbations. Early experiments were adversely affected by inadequate experimental timescales and, potentially, an unintended secondary shockwave. These issues were addressed by extending the 4 x 10 13 W/cm 2 laser pulse from 19 ns to 28 ns, and increasing the ablator thickness from 185 µm to 500 µm. We present data demonstrating the performance of the platform.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

The impact of the third O 2 addition reaction network on ignition delay times of neo-pentane

In this work, we studied the oxidation of neo-pentane by combining experiments, theoretical calculations, and mechanistic developments to elucidate the impact of the 3rd O 2 addition reaction network on ignition delay time predictions. The experiments are based on photoionization mass spectrometry in jet-stirred and time-resolved flow reactors allowing for sensitive detection of the keto-hydroperoxide (KHP) and keto-dihydroperoxide (KDHP) intermediates. With neo-pentane exhibiting a unique symmetric molecular structure, which consequently results only in single KHP and KDHP isomers, theoretical calculations of ionization and fragment appearance energies and of absolute photoionization cross sections enabled the unambiguous identification and quantification of the KHP intermediate. Its temperature and time-resolved profiles together with calculated and experimentally observed KHP-to-KDHP signal ratios were compared to simulation results based on a newly developed mechanism that describes the 3rd O 2 addition reaction network. A satisfactory agreement has been observed between the experimental data points and the simulation results, thus adding confidence to the model's overall performance. Finally, this mechanism was used to predict ignition delay times reported previously in shock tube and rapid compression machine experiments (J. Bugler et al., Combust. Flame 163 (2016) 138–156). While the model accurately reproduces the experimental data, simulations with and without the 3rd O 2 addition reaction network included reveal only a negligible effect on the predicted ignition delay times at 10 and 20 atm. According to model calculations, low temperatures and high pressures promote the importance of the 3rd O2 addition reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Ambient-Temperature Hydrogen Storage via Vanadium(II)-Dihydrogen Complexation in a Metal-Organic Framework

In this report, the widespread implementation of H 2 as a fuel is currently hindered by the high pressures or cryogenic temperatures required to achieve reasonable storage densities. In contrast, the realization of materials that strongly and reversibly adsorb hydrogen at ambient temperatures and moderate pressures could transform the transportation sector and expand adoption of fuel cells in other applications. To date, however, no adsorbent has been identified that exhibits a binding enthalpy within the optimal range of -15 to -25 kJ/mol for ambient-temperature hydrogen storage. Here, we report the hydrogen adsorption properties of the metal-organic framework (MOF) V 2 Cl 2.8 (btdd) (H 2 btdd, bis(1 H -1,2,3-triazolo[4,5- b ],[4',5'- i ])dibenzo[1,4]dioxin), which features exposed vanadium(II) sites capable of backbonding with weak π acids. Significantly, gas adsorption data reveal that this material binds H 2 with an enthalpy of -21 kJ/mol. This binding energy enables usable hydrogen capacities that exceed that of compressed storage under the same operating conditions. The Kubas-type vanadium(II)-dihydrogen complexation is characterized by a combination of techniques. From powder neutron diffraction data, a V-D 2 (centroid) distance of 1.966(8) Å is obtained, the shortest yet reported for a MOF. Using in situ infrared spectroscopy, the H-H stretch was identified, and it displays a red shift of 242 cm -1 . Electronic structure calculations show that a main contribution to bonding stems from the interaction between the vanadium d π and H 2 σ* orbital. Ultimately, the pursuit of MOFs containing high densities of weakly π-basic metal sites may enable storage capacities under ambient conditions that far surpass those accessible with compressed gas storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Surprising Stability of Cubane under Extreme Pressure

The chemical stability of solid cubane under high-pressure was examined with in situ Raman spectroscopy and synchrotron powder X-ray diffraction (PXRD) in a diamond anvil cell (DAC) up to 60 GPa. The Raman modes associated with solid cubane were assigned by comparing experimental data with calculations based on density functional perturbation theory, and low-frequency lattice modes are reported for the first time. Here, the equation of state of solid cubane derived from the PXRD measurements taken during compression gives a bulk modulus of 14.5(2) GPa. In contrast with previous work and chemical intuition, PXRD and Raman data indicate that solid cubane exhibits anomalously large stability under extreme pressure, despite its immensely strained 90° C–C–C bond angles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

FY2017 status report: Model 9975 O-ring fixture long-term leak performance

A series of experiments to monitor the aging performance of Viton® GLT and GLT-S O-rings used in the Model 9975 shipping package has been ongoing since 2004 at the Savannah River National Laboratory. One approach has been to periodically evaluate the leak performance of O-rings being aged in mock-up 9975 Primary Containment Vessels (PCVs) at elevated temperature. Other methods such as compression-stress relaxation (CSR) tests and field surveillance are also on-going to evaluate O-ring behavior. Seventy tests using PCV mock-ups with GLT O-rings were assembled and heated to temperatures ranging from 200 to 450 ºF. They were leak-tested initially and have been tested periodically to determine if they continue to meet the leak-tightness criterion defined in ANSI standard N14.5-97. Due to material substitution, a smaller test matrix with fourteen additional tests was initiated in 2008 with GLT-S O-rings heated to temperatures ranging from 200 to 400 ºF. Leak test failures have been experienced in all of the GLT O-ring fixtures aging at 350 ºF and higher temperatures, and in 8 fixtures aging at 300 ºF. The 300 °F GLT O-ring fixtures failed after 2.8 to 5.7 years at temperature. The remaining GLT O-ring fixtures aging at 300 ºF were retired from testing following more than 5 years at temperature without failure. No failures have yet been observed in GLT O-ring fixtures aging at 200 ºF for 9 to 10.5 years, or in GLT O-ring fixtures aging at 270 ºF for 5.7 years. These aging temperatures bound O-ring temperatures anticipated during normal storage in K-Area Complex (KAC). Leak test failures have been experienced in all of the GLT-S O-ring fixtures aging at 300 ºF and above. No failures have yet been observed in GLT-S O-ring fixtures aging at 200 and 250 ºF for 6.9 to 7.5 years. Data from the O-ring fixtures are generally consistent with results from compression stress relaxation testing, and provide confidence in the predictive models based on those results. However, uncertainty still exists in extrapolating these elevated temperature results to the lower temperatures of interest for normal storage in KAC. Measurement of compression set in O-rings removed from failed fixtures, compared to that from KAC surveillance O-rings, indicates margin remains for O-rings still in service. Aging and periodic leak testing will continue for the remaining PCV fixtures.

42 ENGINEERING↗
DOE OSTI2015

Kinetic Alfvén waves and particle response associated with a shock-induced, global ULF perturbation of the terrestrial magnetosphere

On 2 October 2013, the arrival of an interplanetary shock compressed the Earth's magnetosphere and triggered a global ULF (ultra low frequency) oscillation. Furthermore, the Van Allen Probe B spacecraft observed this large-amplitude ULF wave in situ with both magnetic and electric field data. Broadband waves up to approximately 100 Hz were observed in conjunction with, and modulated by, this ULF wave. Detailed analysis of fields and particle data reveals that these broadband waves are Doppler-shifted kinetic Alfvén waves. This event then suggests that magnetospheric compression by interplanetary shocks can induce abrupt generation of kinetic Alfvén waves over large portions of the inner magnetosphere, potentially driving previously unconsidered wave-particle interactions throughout the inner magnetosphere during the initial response of the magnetosphere to shock impacts.

58 GEOSCIENCES↗
DOE OSTI2025

Modeling a Sodium Heat Pipe Experiment at SPHERE Using Sockeye

The Single Primary Heat Extraction and Rejection Emulator (SPHERE) facility at Idaho Na- tional Laboratory was recently utilized to generate data for the startup and steady operation of a high-performance, sodium heat pipe over the course of 1000 hours, as a test of detrimental, long-term effects of heat pipe operation. The setup consists of a single, sodium heat pipe enclosed in a stainless-steel vacuum chamber, heated radiatively via a cylindrical ceramic fiber heater configuration and cooled via a water-cooled calorimeter. Measurements include temperatures at several axial locations along the outer surface of the heat pipe, the power provided to the heaters, and the heat removal rate of the calorimeter. In this work, this data is utilized to validate heat pipe models in the heat pipe application Sockeye, which is based upon the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. Sockeye provides various heat pipe models at an engineering scale appropriate for the multiphysics simulation of microreactors, which may feature several hundred heat pipes. This work details models of this experiment in SPHERE using various heat pipe models with Sockeye, including heat conduction-based models and compressible flow models of the heat pipe interior. These models are compared to the experimental data to assess the accuracy of several aspects of heat pipe modeling, including frozen startup, the effect of non-condensable gases, and the coupling of the heat pipe to its environment.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Open Specy 1.0: Automated (Hyper)spectroscopy for Microplastics

Microplastic spectral analysis is one of the most time-consuming processes in studying microplastic pollution, often requiring days per sample. Researchers are transitioning to automated batch and hyperspectral image analysis techniques to enhance efficiency. Open Specy, initially aimed at manual single-spectrum analysis, has now integrated automated methods. This updated version, Open Specy 1.0, introduces several new features, including two algorithms for automated processing (smoothing and particle compression), an extensive library containing over 40,000 open-source Raman and FTIR spectra, and two machine learning classifiers (logistic regression and k medoids) developed from this library. Furthermore, it includes a revamped user interface, an R package, and a benchmark data set for testing future advancements in automated techniques. Researchers evaluated various configurations for hyperspectral smoothing, particle identification, compression, and splitting, to achieve combined recovery rates between 50 and 150% particle counts, identities, and sizes with a coefficient of variation (CV) of less than 40% (the accredited standard). Mean absorbance times the standard deviation provided a consistent particle identification. Hyperspectral smoothing led to a 96% combined recovery rate and reduced variability (CV = 38%) compared to the 86% recovery (CV = 83%) of nonsmoothed controls. Additionally, compressing spectra for particles was significantly faster (>3x) and showed similar accuracy but with reduced variability than processing each pixel individually. Key challenges persist in automating spectral analysis, particularly in refining particle splitting algorithms, and improving identification routines to minimize false positives and negatives. In conclusion, new methods in sample preparation for better stabilization and dispersion of particles could overcome some of these issues.

13 HYDRO ENERGY↗
DOE OSTI2017

Nonlinear Feature Extraction and Energy Dissipation of Foam/Metal Interfaces

The physical mechanisms of energy dissipation in foam to metal interfaces must be understood in order to develop predictive models of systems with foam packaging common to many aerospace and aeronautical applications. Experimental data was obtained from hardware termed Ministack, which has large, unbonded interfaces held under compressive preload. This setup has a solid aluminum mass placed into two foam cups which are then inserted into an aluminum can and fastened with a known preload. Ministack was tested on a shaker using upward sine sweep base acceleration excitations to estimate the linearized natural frequency and energy dissipation of the first axial mode. The experimental system was disassembled and reassembled before each series of tests in order to observe the effects of the assembly to assembly variability on the dynamics. Additionally, Ministack was subjected to upward and downward sweeps to gain some understanding of the nonlinearities. Finally, Ministack was tested using a transient input, and the ring down was analyzed to find the effective stiffness and damping. There are some important findings in the measured data: there is significant assembly to assembly variability, the order in which the sine sweeps are performed influence s the dynamic response, and the system exhibits nontrivial damping and stiffness nonlinearities that must be accounted for in modeling efforts .

42 ENGINEERING↗